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Compound Detail

CHEMBL5190420

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CCc1cc(Nc2ncc(Br)c(Nc3ccc(C4CC4)cc3P(C)(C)=O)n2)c(OC)cc1N1CCC(N2CCN(CCS(C)(=O)=O)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5190420
Phase Preclinical
Structure Type MOL
InChI Key NWZQYQXHKJTTGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

788.8
MW (Da)
6.05
ALogP
11
HBA
2
HBD
120.0
PSA (Ų)
0.20
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H51BrN7O4PS
MW 788.79
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
35413415 10.1016/j.bmcl.2022.128729 Epidermal growth factor receptor 1
35413415 10.1016/j.bmcl.2022.128729 BaF3 1
35413415 10.1016/j.bmcl.2022.128729 PC-9 1

Data from ChEMBL 36 via Core Engine